General Information of the Compound
Compound ID
CP0909196
Compound Name
N-(2-(2,4-dichlorophenyl)-3-((4-(pyridazine-4-carbonyl)piperazin-1-yl)methyl)imidazo[1,2-a]pyridin-6-yl)-N-methylmethanesulfonamide
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Structure
Formula
C25H25Cl2N7O3S
Molecular Weight
574.494
Canonical SMILES
CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)c4ccnnc4)CC3)n2c1)S(C)(=O)=O
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InChI
InChI=1S/C25H25Cl2N7O3S/c1-31(38(2,36)37)19-4-6-23-30-24(20-5-3-18(26)13-21(20)27)22(34(23)15-19)16-32-9-11-33(12-10-32)25(35)17-7-8-28-29-14-17/h3-8,13-15H,9-12,16H2,1-2H3
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InChIKey
LLNYDHFPFUVZQK-UHFFFAOYSA-N
Physicochemical Property
logP
3.4519
Rotatable Bonds
6
Heavy Atom Count
38
Polar Areas
104.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
38

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 121309925
ChEMBL ID
CHEMBL4280248
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04657, Solute carrier family 2, facilitated glucose transporter member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 <= 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06319, Solute carrier family 2, facilitated glucose transporter member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 <= 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06387, Solute carrier family 2, facilitated glucose transporter member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 <= 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03440, Solute carrier family 2, facilitated glucose transporter member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 <= 1000 nM
   TI
   LI
   LO
   TS